[Pw_forum] Dissociation on metallic surface

[Vincenzo Verdolino]

Dear community,

I would like to study the molecular dissociation of a biatomic system on a metallic surface through NEB theory under the effect of external electric field

What would be your best approach?

Sorry for the very open question but we could go in details while discussing

Thank you all and best regards

Vincenzo Verdolino




Vincenzo Verdolino, PhD
Computer Science Department,
Università della Svizzera italiana - ETH
Via Giuseppe Buffi 13, Lugano 6900
Switzerland
Phone: +41 58 666  48 11
Skype: vincenzo.verdolino
e-mail: verdoliv at chem.phys.ethz.ch <mailto:verdoliv at chem.phys.ethz.ch>  vincenzo.verdolino at gmail.com <mailto:vincenzo.verdolino at gmail.com>
website: www.gpv-ar.com <http://www.gpv-ar.com/>



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